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Ligand

NameCHEMBL521826
Molecular formulaC16H20N2O4
IUPAC namemethyl N-[3-[2-(2-methylpropanoylamino)ethyl]-1-benzofuran-5-yl]carbamate
Molecular weight304.346
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.5
SynonymsSCHEMBL5340374
BDBM50260407
methyl 3-(2-isobutyramidoethyl)benzofuran-5-ylcarbamate
N-(2-(5-Methoxycarbonylamino-benzo[b]furan-3-yl)ethyl)isopropylcarboxamide
Inchi KeyCQWNTRFWWAONMJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H20N2O4/c1-10(2)15(19)17-7-6-11-9-22-14-5-4-12(8-13(11)14)18-16(20)21-3/h4-5,8-10H,6-7H2,1-3H3,(H,17,19)(H,18,20)
PubChem CID17957007
ChEMBLCHEMBL521826
IUPHARN/A
BindingDB50260407
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Known GPCRs

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Total entries: 2
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GLASS IDNameUniProtGeneSpeciesLength
48539Melatonin receptor type 1AP48039MTNR1AHomo sapiens (Human)350
48540Melatonin receptor type 1BP49286MTNR1BHomo sapiens (Human)362

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